About CID 21261146
CID 21261146 (PubChem CID 21261146) has the molecular formula C29H32Cl2SiZr
and a molecular weight of 570.79 g/mol.
Molecular Properties
| Compound Name | CID 21261146 |
|---|
| PubChem CID | 21261146 |
|---|
| Molecular Formula | C29H32Cl2SiZr |
|---|
| Molecular Weight | 570.79 g/mol |
|---|
| Exact Mass | 568.07 |
|---|
| IUPAC Name | — |
|---|
| SMILES | C1C[Si]C1.CCc1cccc(C2=[C-]CC=C2)c1.CCc1cccc(C2=[C-]CC=C2)c1.[Cl-].[Cl-].[Zr+4] |
|---|
| InChI | InChI=1S/2C13H13.C3H6Si.2ClH.Zr/c2*1-2-11-6-5-9-13(10-11)12-7-3-4-8-12;1-2-4-3-1;;;/h2*3,5-7,9-10H,2,4H2,1H3;1-3H2;2*1H;/q2*-1;;;;+4/p-2 |
|---|
| InChIKey | PVRWIXQTOUOMBE-UHFFFAOYSA-L |
|---|
| XLogP | 1.73 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 570.79 |
| LogP ≤ 5 | 1.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze CID 21261146 with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of CID 21261146?
The IUPAC name of CID 21261146 (CID 21261146) is not available.
What is the SMILES notation for CID 21261146?
The canonical SMILES for CID 21261146 is C1C[Si]C1.CCc1cccc(C2=[C-]CC=C2)c1.CCc1cccc(C2=[C-]CC=C2)c1.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of CID 21261146?
The InChIKey is PVRWIXQTOUOMBE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H13.C3H6Si.2ClH.Zr/c2*1-2-11-6-5-9-13(10-11)12-7-3-4-8-12;1-2-4-3-1;;;/h2*3,5-7,9-10H,2,4H2,1H3;1-3H2;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 21261146?
CID 21261146 has a molecular weight of 570.79 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21261146 is sourced from PubChem (CID 21261146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).